CID 3232118

1-cyclopentyl-2-oxo-2,3-dihydro-1h-1,3-benzodiazole-5-carboxylic acid

Structural Information

Molecular Formula
C13H14N2O3
SMILES
C1CCC(C1)N2C3=C(C=C(C=C3)C(=O)O)NC2=O
InChI
InChI=1S/C13H14N2O3/c16-12(17)8-5-6-11-10(7-8)14-13(18)15(11)9-3-1-2-4-9/h5-7,9H,1-4H2,(H,14,18)(H,16,17)
InChIKey
ATPXZVQETNPJTK-UHFFFAOYSA-N
Compound name
1-cyclopentyl-2-oxo-3H-benzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.10045 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.107726 153.1
[M+Na]+ 269.089668 162.1
[M-H]- 245.093174 156.5
[M+NH4]+ 264.134273 171.0
[M+K]+ 285.063608 157.6
[M+H-H2O]+ 229.097710 146.4
[M+HCOO]- 291.098651 172.1
[M+CH3COO]- 305.114301 165.1
[M+Na-2H]- 267.075116 154.2
[M]+ 246.09990142 151.8
[M]- 246.10099858 151.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.